From 1cae771b98ff08ee7a40bcfc6dd2acec2dd777bd Mon Sep 17 00:00:00 2001 From: CoprDistGit Date: Tue, 17 Dec 2024 11:53:20 +0000 Subject: automatic import of lammps --- lammps.spec | 8 ++++++++ 1 file changed, 8 insertions(+) (limited to 'lammps.spec') diff --git a/lammps.spec b/lammps.spec index f82bff6..10bc267 100644 --- a/lammps.spec +++ b/lammps.spec @@ -177,6 +177,14 @@ cp %{SOURCE5} cmake/ set +e . /etc/profile.d/modules.sh set -e +for mpi in '' mpich %{?with_openmpi:openmpi} ; do + test -n "${mpi}" && module load mpi/${mpi}-%{_arch} + if [ -z "$mpi" ]; then + mkdir build && cd build + else + mkdir build-${mpi} && cd build-${mpi} + fi + #python wrapper isn't mpi specific for mpi in '' mpich %{?with_openmpi:openmpi} ; do test -n "${mpi}" && module load mpi/${mpi}-%{_arch} if [ -z "$mpi" ]; then -- cgit v1.2.3